1'-(2-fluorophenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one

C19H18FNO4S — CID 7260681

IUPAC1'-(2-fluorophenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(S(=O)(=O)c3ccccc3F)CC2)Oc2ccccc21
InChIInChI=1S/C19H18FNO4S/c20-15-6-2-4-8-18(15)26(23,24)21-11-9-19(10-12-21)13-16(22)14-5-1-3-7-17(14)25-19/h1-8H,9-13H2
InChIKeyNSZOAUUFUHRSBR-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.01
Rot. Bonds2

About 1'-(2-fluorophenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one

1'-(2-fluorophenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 7260681) has the molecular formula C19H18FNO4S and a molecular weight of 375.42 g/mol. Its IUPAC name is 1'-(2-fluorophenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(2-fluorophenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID7260681
Molecular FormulaC19H18FNO4S
Molecular Weight375.42 g/mol
Exact Mass375.09
IUPAC Name1'-(2-fluorophenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(S(=O)(=O)c3ccccc3F)CC2)Oc2ccccc21
InChIInChI=1S/C19H18FNO4S/c20-15-6-2-4-8-18(15)26(23,24)21-11-9-19(10-12-21)13-16(22)14-5-1-3-7-17(14)25-19/h1-8H,9-13H2
InChIKeyNSZOAUUFUHRSBR-UHFFFAOYSA-N
XLogP3.01
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-fluorophenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(2-fluorophenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 7260681) is 1'-(2-fluorophenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(2-fluorophenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(2-fluorophenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(S(=O)(=O)c3ccccc3F)CC2)Oc2ccccc21.
What is the InChIKey of 1'-(2-fluorophenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is NSZOAUUFUHRSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4S/c20-15-6-2-4-8-18(15)26(23,24)21-11-9-19(10-12-21)13-16(22)14-5-1-3-7-17(14)25-19/h1-8H,9-13H2.
What are the key properties of 1'-(2-fluorophenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(2-fluorophenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 375.42 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-fluorophenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 7260681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).